Rovibrational analysis of weaker bands (ν3 + ν4 + ν6, ν2 + ν3 + ν4 − ν3, ν3 + ν4 + ν5 − ν3 and ν1 + ν5) of CH379Br in the range of 2.5 μm

Autor: Claude Alamichel, Najate Ben Sari-Zizi
Rok vydání: 1997
Předmět:
Zdroj: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 53:1677-1690
ISSN: 1386-1425
DOI: 10.1016/s1386-1425(96)01767-2
Popis: All the bands of the CH 3 79 Br isotopomer quoted in the title have been studied in high resolution (0.006 cm −1 ). A least squares fit over 580 lines (194 being zero-weighted) of ν 3 + ν 4 + ν 6 E, according to an unperturbed model, gave a r.m.s. deviation of 0.005 cm −1 with quite reasonable molecular constants. A least squares fit over 824 lines (171 being zero-weighted) of both ν 2 + ν 3 + ν 4 − ν 3 and ν 3 + ν 4 + ν 5 − ν 3 hot bands, linked by the x − y Coriolis resonance which connects the ν 2 and ν 5 modes [C. di Lauro and I.M. Mills, J. Mol. Spectrosc., 21 (1966) 386], was achieved according to a model taking also into account the l (2,2) resonance [M.-L. Grenier-Besson, J. Phys. (Paris), 21 (1960) 555, and G.J. Cartwright and I.M. Mills, J. Mol. Spectrosc., 34 (1970) 415] inside the ν 4 mode; it gave a r.m.s. deviation of 0.027 cm −1 . The ν 2 + ν 3 + ν 4 − ν 3 band overlaps the ν 1 + ν 5 band on its Δ K = −1 side, making quite difficult the assignments of this latter band, 1020 lines of which have nevertheless been identified. Moreover ν 1 + ν 5 is strongly perturbed by both perpendicular components of the ν 3 + 2ν 5 + ν 6 band, which are too weak to be normally observed and are only reached because of their interactions with ν 1 + ν 5 .
Databáze: OpenAIRE